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Calcium in PDB 1p7v: Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution

Enzymatic activity of Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution

All present enzymatic activity of Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution:
3.4.21.64;

Protein crystallography data

The structure of Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution, PDB code: 1p7v was solved by S.Bilgrami, P.Kaur, V.Chandra, S.Banumathi, M.Perbandt, C.Betzel, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.08
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.720, 67.720, 101.620, 90.00, 90.00, 90.00
R / Rfree (%) 12 / 14

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution (pdb code 1p7v). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution, PDB code: 1p7v:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1p7v

Go back to Calcium Binding Sites List in 1p7v
Calcium binding site 1 out of 2 in the Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca480

b:4.5
occ:1.00
 O A:VAL177 2.4 5.1 1.0
O A:PRO175 2.4 5.2 1.0
O A:HOH685 2.4 7.2 1.0
O A:HOH507 2.4 5.1 1.0
OD2 A:ASP200 2.4 4.6 1.0
O A:HOH506 2.4 6.0 1.0
O A:HOH504 2.5 6.8 1.0
OD1 A:ASP200 2.7 5.8 1.0
CG A:ASP200 2.9 4.4 1.0
C A:PRO175 3.5 4.9 1.0
C A:VAL177 3.6 4.2 1.0
O A:HOH613 3.6 6.7 1.0
HA A:CYS178 3.7 3.7 1.0
HA A:PRO175 3.8 5.7 1.0
H A:THR179 3.9 3.6 1.0
H A:VAL177 4.1 4.5 1.0
N A:VAL177 4.1 4.5 1.0
CA A:PRO175 4.2 5.7 1.0
O A:VAL198 4.3 5.8 1.0
HA A:SER176 4.4 4.8 1.0
CB A:ASP200 4.4 4.4 1.0
C A:SER176 4.4 4.6 1.0
N A:SER176 4.4 4.8 1.0
O A:HOH742 4.5 39.5 1.0
CA A:CYS178 4.5 3.7 1.0
N A:CYS178 4.5 3.9 1.0
O A:GLU174 4.5 4.8 1.0
O A:HOH607 4.5 13.2 1.0
O A:HOH612 4.5 18.8 1.0
CA A:VAL177 4.5 4.4 1.0
N A:THR179 4.6 3.6 1.0
O A:HOH590 4.6 18.0 1.0
CA A:SER176 4.6 4.8 1.0
O A:HOH512 4.7 8.3 1.0
HB2 A:ASP200 4.7 4.3 1.0
HG21 A:VAL198 4.7 6.6 1.0
HB A:THR179 4.8 4.0 1.0
HG23 A:VAL198 4.8 6.6 1.0
HB3 A:ASP200 4.8 4.3 1.0
OG1 A:THR179 4.8 4.4 1.0
HG1 A:THR179 4.8 4.4 0.0
HG23 A:VAL177 4.9 5.2 1.0
SG A:CYS249 4.9 5.0 1.0
O A:SER176 4.9 5.4 1.0

Calcium binding site 2 out of 2 in 1p7v

Go back to Calcium Binding Sites List in 1p7v
Calcium binding site 2 out of 2 in the Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala- Ala at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca481

b:53.8
occ:1.00
 O A:HOH925 2.6 34.4 1.0
O A:HOH730 2.9 15.7 1.0
OG A:SER17 3.1 11.3 1.0
HD2 A:PRO18 3.1 6.0 1.0
HB3 A:SER17 3.1 7.2 1.0
HG A:SER17 3.2 14.9 0.0
O A:HOH799 3.5 28.2 1.0
O A:HOH763 3.5 31.2 1.0
HA A:SER17 3.5 6.4 1.0
CB A:SER17 3.5 7.4 1.0
CD A:PRO18 4.0 6.3 1.0
O A:HOH829 4.0 28.6 1.0
CA A:SER17 4.1 6.4 1.0
HD3 A:PRO18 4.2 6.0 1.0
HB2 A:SER17 4.4 7.2 1.0
O A:HOH923 4.6 4.0 1.0
O A:HOH748 4.7 24.8 1.0
HG2 A:PRO18 4.8 6.6 1.0
O A:THR16 4.8 10.0 1.0
N A:PRO18 4.9 5.7 1.0
CG A:PRO18 4.9 6.8 1.0

Reference:

S.Bilgrami, P.Kaur, V.Chandra, S.Banumathi, M.Perbandt, C.Betzel, T.P.Singh. Structure of A Complex Formed Between Proteinase K and A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ala-Ala at Atomic Resolution To Be Published.
Page generated: Thu Jul 11 13:39:56 2024

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